5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide

C20H22N4O4 — CID 72861025

IUPAC5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-c2[nH]ncc2C(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)c1
InChIInChI=1S/C20H22N4O4/c1-12-6-16(28-24-12)8-14-10-27-11-18(14)22-20(25)17-9-21-23-19(17)13-4-3-5-15(7-13)26-2/h3-7,9,14,18H,8,10-11H2,1-2H3,(H,21,23)(H,22,25)/t14-,18+/m1/s1
InChIKeyOJRQTIDQNOVGFU-KDOFPFPSSA-N
MW382.42 g/mol
LogP2.37
Rot. Bonds6

About 5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide

5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 72861025) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID72861025
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1cccc(-c2[nH]ncc2C(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)c1
InChIInChI=1S/C20H22N4O4/c1-12-6-16(28-24-12)8-14-10-27-11-18(14)22-20(25)17-9-21-23-19(17)13-4-3-5-15(7-13)26-2/h3-7,9,14,18H,8,10-11H2,1-2H3,(H,21,23)(H,22,25)/t14-,18+/m1/s1
InChIKeyOJRQTIDQNOVGFU-KDOFPFPSSA-N
XLogP2.37
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-[3-(3-methoxyphenyl)phenyl]methanone
CID 155503912
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 72910431
5-acetyl-2,4-dimethyl-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 133134089
5-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1-propylpyrazole-4-carboxamide
CID 72870120
5-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824347
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 72850871
5-acetyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]thiophene-3-carboxamide
CID 72891636
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 72906146
5-(3-methoxyphenyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1H-pyrazole-4-carboxamide
CID 97117950
3-(3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]benzamide
CID 133138608
N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-2-phenylsulfanylacetamide
CID 72938051

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide (CID 72861025) is 5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide is COc1cccc(-c2[nH]ncc2C(=O)N[C@H]2COC[C@H]2Cc2cc(C)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is OJRQTIDQNOVGFU-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-6-16(28-24-12)8-14-10-27-11-18(14)22-20(25)17-9-21-23-19(17)13-4-3-5-15(7-13)26-2/h3-7,9,14,18H,8,10-11H2,1-2H3,(H,21,23)(H,22,25)/t14-,18+/m1/s1.
What are the key properties of 5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide?
5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 72861025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).